(3R)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H13N3O5S MolecularWeight: 395.38862

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H13N3O5S/c1-2-9-21-13-8-7-12(22(24)25)10-17(13)28-19(21)20-18(23)16-11-26-14-5-3-4-6-15(14)27-16/h1,3-8,10,16H,9,11H2/t16-/m1/s1